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2-Quinolinecarboxaldehyde

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Name

2-Quinolinecarboxaldehyde

EINECS 226-804-3
CAS No. 5470-96-2 Density 1.223 g/cm3
PSA 29.96000 LogP 2.04730
Solubility Insoluble in water. Melting Point 70-72 °C(lit.)
Formula C10H7NO Boiling Point 314.3 °C at 760 mmHg
Molecular Weight 157.172 Flash Point 151.9 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5470-96-2 (2-Quinolinecarboxaldehyde) Hazard Symbols IrritantXi
Synonyms

Quinaldaldehyde(6CI,7CI,8CI);2-Formylquinoline;2-Quinolylaldehyde;2-Quinolylcarbaldehyde;NSC 27026;Quinoline-2-carbaldehyde;

Article Data 103

2-Quinolinecarboxaldehyde Specification

The 2-Quinolinecarboxaldehyde with cas registry number of 5470-96-2 is a white to light yellow crystal powder. It is stable under normal temperatures and pressures and incompatible with strong oxidizing agents, strong bases. It is also sensitive to air. This chemical belongs to the following categories: Quinoline & Isoquinoline; Quinoline Derivertives; Quinolinecarboxylic Acids, etc.; Quinolines; Building Blocks; Heterocyclic Building Blocks. It has the EINECS registry number of 226-804-3. In addition, Both its systematic name and IUPAC name are the same which is called quinoline-2-carbaldehyde.

The physical properties about this chemical are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.49; (6)ACD/BCF (pH 7.4): 24.91; (7)ACD/KOC (pH 5.5): 341.8; (8)ACD/KOC (pH 7.4): 347.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.687; (13)Molar Refractivity: 48.93 cm3; (14)Molar Volume: 128.4 cm3; (15)Surface Tension: 55.3 dyne/cm; (16)Density: 1.223 g/cm3; (17)Flash Point: 151.9 °C; (18)Enthalpy of Vaporization: 55.55 kJ/mol; (19)Boiling Point: 314.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00047 mmHg at 25°C.

Preparation of 2-Quinolinecarboxaldehyde: it can be prepared by 2-methyl-quinoline together with reagents SeO2, tert-butyl hydroperoxide and solvent dioxane at temperature of 50 ℃.

Uses of 2-Quinolinecarboxaldehyde: it can react with aniline to manufacturer N-quinolin-2-ylmethylene-aniline by using solvent Ethanol.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nc2ccccc2cc1;
(2)InChI: InChI=1/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H;
(3)InChIKey: WPYJKGWLDJECQD-UHFFFAOYAZ

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